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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
09-10-2018 – 09-10-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Principles of method if other than guideline:
The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block.
GLP compliance:
no
Type of method:
other: standard laboratory method
Specific details on test material used for the study:
- IUPAC Name: 2-[[6-[[4-Chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid tetrasodium salt
- Mol. formula: C31H20ClN7Na4O16S5
- Molecular Weight: 1034.275 g/mole
- InChI: 1S/C31H24ClN7O16S5.4Na/c32-29-35-30(33-17-4-7-19(8-5-17)56(41,42)13-12-55-60(52,53)54)37-31(36-29)34-18-6-9-20-16(14-18)15-25(58(46,47)48)26(27(20)40)39-38-23-11-10-21-22
(28(23)59(49,50)51)2-1-3-24(21)57(43,44)45;;;;/h1-11,14-15,40H,12-13H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,33,34,35,36,37);;;;/q;4*+1/p-4/b39-38+;;;;
- Smiles:c1cc2c(ccc(c2S(=O)(=O)[O-])N=Nc3c(cc4cc(ccc4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
- Appearance : Solid
Key result
Atm. press.:
978.5 hPa
Decomposition:
yes
Decomp. temp.:
>= 190.6 - <= 195.3 °C
Sublimation:
no
Remarks on result:
other: other details not available

Observation Table & Result :

 Method Details    Observations
 Guideline  OECD 102  
 Method  Capillary/metal block  
 Principle of method  

The temperature at which a

solid becomes a liquid at

standard atmospheric

pressure

  

 Atmospheric

pressure

hPa 

 978.5 hPa

 Decomposition

 Decomposition temperature

(°C), if applicable

 Yes

 Sublimation

 Sublimation temperature

(°C), if applicable

NO 

Mean decomposition temperature

 °C

 190.6-195.3°C
Conclusions:
The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean decomposition temperature was determine to be 190.6-195.3°C at 978.5 hPa.
Executive summary:

The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean decomposition temperature was determine to be 190.6-195.3°C at 978.5 hPa.

Description of key information

The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean decomposition temperature was determine to be 190.6-195.3°C at 978.5 hPa.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
190.6 °C

Additional information

The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean decomposition temperature was determine to be 190.6-195.3°C at 978.5 hPa.